Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules.
Bioorg Med Chem Lett
; 21(19): 5673-9, 2011 Oct 01.
Article
em En
| MEDLINE
| ID: mdl-21852131
ABSTRACT
A valid PLS-DA model to predict attrition in pre-clinical toxicology for basic oral candidate drugs was built. A combination of aromatic/aliphatic balance, flatness, charge distribution and size descriptors helped predict the successful progression of compounds through a wide range of toxicity testing. Eighty percent of an independent test set of marketed post-2000 basic drugs could be successfully classified using the model, indicating useful forward predictivity. The themes within this work provide additional guidance for medicinal design chemists and complement other literature property guidelines.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
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Modelos Estatísticos
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Testes de Toxicidade
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Indústria Farmacêutica
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Avaliação Pré-Clínica de Medicamentos
Tipo de estudo:
Guideline
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Prognostic_studies
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Risk_factors_studies
Limite:
Animals
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Humans
Idioma:
En
Ano de publicação:
2011
Tipo de documento:
Article